1,3-Bis(2-fluoroethyl)-5-[(2-fluoroethyl)amino]pyrimidine-2,4(1H,3H)-dione--hydrogen bromide (1/1)
Basic information
- CAS
16869-92-4- Standard SMILES
Br.O=c1c(NCCF)cn(CCF)c(=O)n1CCF- InChIKey
RGWIWBKLYGBWQN-UHFFFAOYSA-N- Molecular formula
- C10H15BrF3N3O2
- Average molar mass
- 346.14 g/mol
- Monoisotopic mass
- 345.02997
Names & identifiers
- Preferred name
- 1,3-Bis(2-fluoroethyl)-5-[(2-fluoroethyl)amino]pyrimidine-2,4(1H,3H)-dione--hydrogen bromide (1/1)
- IUPAC
- 1,3-bis(2-fluoroethyl)-5-(2-fluoroethylamino)pyrimidine-2,4-dione;hydrobromide
Names & synonyms
16869-92-4DTXSID40712695NSC90424NSC-904241,3-Bis(2-fluoroethyl)-5-[(2-fluoroethyl)amino]pyrimidine-2,4(1H,3H)-dione--hydrogen bromide (1/1)
Database identifiers
- CAS
16869-92-4- PubChem CID
- 54599280
- DTXSID
DTXSID40712695
Properties
Computed structural properties
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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